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| CAS No.: | 7377-03-9 |
|---|---|
| Name: | CAPRYLOHYDROXAMIC ACID |
| Article Data: | 30 |
| Molecular Structure: | |
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| Formula: | C8H17NO2 |
| Molecular Weight: | 159.228 |
| Synonyms: | Octanohydroxamicacid (6CI,7CI,8CI);Caprylohydroxamic acid;N-Hydroxyoctanamide;Octanoylhydroxamic acid;Taselin; |
| EINECS: | 230-936-7 |
| Density: | 0.97 g/cm3 |
| Melting Point: | 78 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 49.33000 |
| LogP: | 2.24320 |
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- 7377-03-9
caprylohydroxamic acid
| Conditions | Yield |
|---|---|
| With Novozym 435 (Candida antarctica lipase B on Lewatit E); hydroxylamine In water at 40℃; for 20h; Condensation; Enzymatic reaction; | 99% |
| Stage #1: Octanoic acid With acetic anhydride for 0.166667h; Stage #2: With hydroxylamine hydrochloride for 0.666667h; | 95.81% |
| With liverextract; hydroxylamine | |
| With hydroxylamine; 1,1'-carbonyldiimidazole | |
| With hydroxylamine; adenosine monophosphate ligase SfaB from Streptomyces thioluteus; ATP; magnesium chloride; Cleland's reagent In aq. buffer at 30℃; for 6h; pH=8; Enzymatic reaction; |
| Conditions | Yield |
|---|---|
| Stage #1: octanoic acid ethyl ester With sodium ethanolate; sodium carbonate In ethanol at 40℃; for 2.5h; Stage #2: With hydroxylamine In ethanol; water | 95.7% |
| With sodium sulfide; hydroxylamine hydrochloride; sodium hydroxide In ethanol at 20 - 45℃; for 3h; Temperature; Concentration; | 93.1% |
| With hydroxylamine hydrochloride; potassium hydroxide In ethanol; water at 5 - 55℃; for 3h; Concentration; Temperature; | 91.1% |
| Conditions | Yield |
|---|---|
| With hydroxylamine hydrochloride; sodium hydroxide In methanol; water at 5 - 40℃; for 5h; Concentration; Temperature; Large scale; | 94.7% |
| With hydroxylamine hydrochloride; sodium hydroxide at 30℃; for 6h; pH=13; | 92.3% |
| With hydroxylamine hydrochloride; triethylamine In water at 0 - 50℃; for 14.5h; Temperature; | 85% |
| Conditions | Yield |
|---|---|
| With methylamine In methanol for 2h; Irradiation; | 85% |
| With selenium(IV) oxide; triethylamine In dichloromethane 1.) 0-10 deg C, 10 min. 2.) 20 deg C, 30 min. 3.) reflux, 1h; | 76% |
| With sodium hydroxide; ethanol for 6h; Product distribution; Quantum yield; Irradiation; var. reagents and solvents; other nitroalkanes; | 30% |
| With sodium ethanolate In ethanol Irradiation; | 30% |
| With sodium ethanolate In ethanol Quantum yield; Irradiation; |
| Conditions | Yield |
|---|---|
| With hydroxylamine nitrate; sodium hydroxide In methanol at 0 - 50℃; for 3h; | A 84% B 3 g |
| Conditions | Yield |
|---|---|
| With selenium(IV) oxide; triethylamine In dichloromethane Product distribution; Mechanism; various molar ratio of reagents; also in the absence of triethylamine; | A 15% B 50% |
| Conditions | Yield |
|---|---|
| With air; tris-trimethylsilyl-hydroxylamine 1.) hexane, RT, 5 min, 2.) 1 d; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| With Thermomyces lanuginosus lipase on Accurel EP; water; hydroxylamine In tert-butyl alcohol at 40℃; for 96h; Kinetics; Condensation; hydrolysis; Enzymatic reaction; |
- 71478-41-6
(ethoxycarbonyl)octanoate
- 7377-03-9
caprylohydroxamic acid
| Conditions | Yield |
|---|---|
| With hydroxylamine In methanol; diethyl ether at 20℃; for 0.25h; | 2.92 g |
- 7377-03-9
caprylohydroxamic acid
| Conditions | Yield |
|---|---|
| With hydroxylamine hydrochloride; triethylamine In dichloromethane at 20℃; for 20h; |
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Specification
The CAS register number of Octanamide, N-hydroxy- is 7377-03-9. It also can be called as Octanoylhydroxamic acid and the IUPAC name about this chemical is N-hydroxyoctanamide. The molecular formula about this chemical is C8H17NO2 and the molecular weight is 159.23. It belongs to the following product categories which include Hydroxylamines; Hydroxylamines (N-Substituted) and so on.
Physical properties about Octanamide, N-hydroxy- are: (1)ACD/LogP: 1.60; (2)ACD/LogD (pH 5.5): 1.6; (3)ACD/LogD (pH 7.4): 1.6; (4)ACD/BCF (pH 5.5): 9.65; (5)ACD/BCF (pH 7.4): 9.58; (6)ACD/KOC (pH 5.5): 176.33; (7)ACD/KOC (pH 7.4): 175.14; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 44.27 cm3; (14)Molar Volume: 164 cm3; (15)Polarizability: 17.55x10-24cm3; (16)Surface Tension: 35.4 dyne/cm; (17)Density: 0.97 g/cm3.
Preparation: this chemical can be prepared by octanoic acid. This reaction will need reagents of liverextract, hydroxylamine.
Uses of Octanamide, N-hydroxy-: it can be used to produce C14H33NO2Si2 with 1,1,1,3,3,3-hexamethyl-disilazane. This reaction will need solvent of acetonitrile. The reaction time is 15 hours with ambient temperature. The yield is about 69%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NO)CCCCCCC
(2)InChI: InChI=1/C8H17NO2/c1-2-3-4-5-6-7-8(10)9-11/h11H,2-7H2,1H3,(H,9,10)
(3)InChIKey: RGUVUPQQFXCJFC-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8(10)9-11/h11H,2-7H2,1H3,(H,9,10)
(5)Std. InChIKey: RGUVUPQQFXCJFC-UHFFFAOYSA-N
The toxicity data are as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 800mg/kg (800mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976. | |
| mouse | LD50 | oral | 8820mg/kg (8820mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(3), Pg. 99, 1977. | |
| rat | LD50 | oral | 10700mg/kg (10700mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(3), Pg. 99, 1977. |